| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:56 UTC |
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| Update Date | 2025-03-25 01:02:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253758 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H22O13 |
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| Molecular Mass | 470.106 |
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| SMILES | O=C(CC(=O)OC1OC(C(=O)O)C(O)C(O)C1O)Oc1cc(O)cc(CC2CCC(=O)O2)c1 |
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| InChI Key | JQQYYPGUFHRSGZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsgamma butyrolactonesglucuronic acid derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol estersphenoxy compoundspyran carboxylic acidssecondary alcoholstetracarboxylic acids and derivativestetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidlactone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativestetrahydrofurantetracarboxylic acid or derivativeshydroxy acid1-hydroxy-4-unsubstituted benzenoidgamma butyrolactoneoxacyclepyrancarboxylic acid esterphenol estersecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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